1-[2-(4-chlorophenyl)morpholine-4-carbonyl]cyclopropan-1-amine

• ChemBase ID: 586801
• Molecular Formular: C14H17ClN2O2
• Molecular Mass: 280.74998
• Monoisotopic Mass: 280.09785547
• SMILES: N1(C(=O)C2(CC2)N)CC(c2ccc(cc2)Cl)OCC1
• Canonical SMILES: O=C(C1(N)CC1)N1CCOC(C1)c1ccc(cc1)Cl
• InChI: InChI=1S/C14H17ClN2O2/c15-11-3-1-10(2-4-11)12-9-17(7-8-19-12)13(18)14(16)5-6-14/h1-4,12H,5-9,16H2
• InChIKey: MTGJDXOAOCESKI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(4-chlorophenyl)morpholine-4-carbonyl]cyclopropan-1-amine
• IUPAC Traditional name: 1-[2-(4-chlorophenyl)morpholine-4-carbonyl]cyclopropan-1-amine
• Synonyms: (1-{[2-(4-chlorophenyl)morpholin-4-yl]carbonyl}cyclopropyl)amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.2239754
• LogD (pH = 7.4): 0.43611342
• Log P: 1.35643
• Molar Refractivity: 73.0321 cm^3
• Polarizability: 28.907722 Å^3
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.43
• LOG S: -2.47
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 2